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Information card for entry 2231610
Preview
| Coordinates | 2231610.cif |
|---|---|
| Structure factors | 2231610.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[triphenyltin(IV)]-μ-5-amino-2-nitrobenzoato- κ^2^<i>O</i>^1^:<i>O</i>^1'^] |
|---|---|
| Formula | C25 H20 N2 O4 Sn |
| Calculated formula | C25 H20 N2 O4 Sn |
| SMILES | [Sn](OC(=O)c1cc(N)ccc1N(=O)=O)(c1ccccc1)(c1ccccc1)(c1ccccc1)[O]=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(N)ccc1N(=O)=O |
| Title of publication | <i>catena</i>-Poly[[triphenyltin(IV)]-μ-5-amino-2-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^] |
| Authors of publication | Win, Yip-Foo; Choong, Chen-Shang; Teoh, Siang-Guan; Quah, Ching Kheng; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1276 - m1277 |
| a | 10.9752 ± 0.0001 Å |
| b | 11.8342 ± 0.0001 Å |
| c | 17.416 ± 0.0002 Å |
| α | 90° |
| β | 102.164 ± 0.001° |
| γ | 90° |
| Cell volume | 2211.25 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0206 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.0441 |
| Weighted residual factors for all reflections included in the refinement | 0.0455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/16. |
2231610.cif 2231610.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231610.cif 2231610.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231610.cif 2231610.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231610.cif 2231610.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231610.cif 2231610.hkl |
| 27740 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231610 via cif-deposit CGI script. |
2231610.cif |
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Users of the data should acknowledge the original authors of the
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